[3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate

C12H16HgNO6 — CID 25199594

IUPAC[3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate
SMILESO.O=C(O)COc1ccccc1C(=O)NCC(O)C[Hg]
InChIInChI=1S/C12H14NO5.Hg.H2O/c1-8(14)6-13-12(17)9-4-2-3-5-10(9)18-7-11(15)16;;/h2-5,8,14H,1,6-7H2,(H,13,17)(H,15,16);;1H2
InChIKeyTZMZETMOJSVOIQ-UHFFFAOYSA-N
MW470.85 g/mol
LogP-0.62
Rot. Bonds7

About [3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate

[3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate (PubChem CID 25199594) has the molecular formula C12H16HgNO6 and a molecular weight of 470.85 g/mol. Its IUPAC name is [3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate.

Molecular Properties

Compound Name[3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate
PubChem CID25199594
Molecular FormulaC12H16HgNO6
Molecular Weight470.85 g/mol
Exact Mass472.07
IUPAC Name[3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate
SMILESO.O=C(O)COc1ccccc1C(=O)NCC(O)C[Hg]
InChIInChI=1S/C12H14NO5.Hg.H2O/c1-8(14)6-13-12(17)9-4-2-3-5-10(9)18-7-11(15)16;;/h2-5,8,14H,1,6-7H2,(H,13,17)(H,15,16);;1H2
InChIKeyTZMZETMOJSVOIQ-UHFFFAOYSA-N
XLogP-0.62
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.85
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+)
CID 6455484
2-[2-(methylcarbamoyl)phenoxy]acetic acid
CID 3026256
[3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+)
CID 23182615
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-2-methylbenzamide
CID 84562345
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid
CID 2915954
sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury
CID 175845123
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[2-(2-hydroxyacetyl)phenoxy]acetic acid
CID 23600039
2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 95982468
2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
CID 2812098
2-[2-(dimethylamino)-2-oxoethoxy]-N-(3-methyl-2-phenylbutyl)benzamide
CID 46447084
2-phenylmethoxy-N-(2-phenylpropyl)benzamide
CID 133164529

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate?
The IUPAC name of [3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate (CID 25199594) is [3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate.
What is the SMILES notation for [3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate?
The canonical SMILES for [3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate is O.O=C(O)COc1ccccc1C(=O)NCC(O)C[Hg].
What is the InChIKey of [3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate?
The InChIKey is TZMZETMOJSVOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NO5.Hg.H2O/c1-8(14)6-13-12(17)9-4-2-3-5-10(9)18-7-11(15)16;;/h2-5,8,14H,1,6-7H2,(H,13,17)(H,15,16);;1H2.
What are the key properties of [3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate?
[3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate has a molecular weight of 470.85 g/mol, XLogP of -0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate is sourced from PubChem (CID 25199594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).